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  1. Third-Parties
  2. MatprojStructure
  3. mp-556165

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-556165
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Li', 'B', 'C', 'O']
  • Chemical System: B-C-Li-O
  • Density: 1.90896411886441
  • Atomic Density: 0.08305109080442279
  • Unit Cell Volume: 674.2837385709302
  • Molar Volume: 7.251127831880684
  • Full Formula: Li4 B4 C16 O32
  • Reduced Formula: LiB(CO2)4
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -442.96346258
  • Final energy per atom: -7.910061831785714
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.